(Q105243363)

English

(2S)-N-[(3R,4R,7R,10Z)-7-(1H-indol-2-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(methylamino)hexanamide

chemical compound

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instance of

type of chemical entity

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subclass of

N-[7-(1H-indol-2-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(methylamino)hexanamide

1 reference

based on heuristic

inferred from SMILES

mass

559.315854792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₁N₅O₄

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canonical SMILES

CCCCC(NC)C(=O)NC1C(=O)NC(Cc2cc3ccccc3[nH]2)C(=O)NC=Cc2ccc(cc2)OC1C(C)C

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isomeric SMILES

CCCC[C@H](NC)C(=O)N[C@H]1C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C

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found in taxon

Ceanothus americanus

1 reference

stated in

Ceanothus alkaloids. Americine

Identifiers

InChI

InChI=1S/C32H41N5O4/c1-5-6-10-26(33-4)31(39)37-28-29(20(2)3)41-24-14-12-21(13-15-24)16-17-34-30(38)27(36-32(28)40)19-23-18-22-9-7-8-11-25(22)35-23/h7-9,11-18,20,26-29,33,35H,5-6,10,19H2,1-4H3,(H,34,38)(H,36,40)(H,37,39)/b17-16-/t26-,27+,28+,29+/m0/s1

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InChIKey

RQKHBSFTWMNHGF-LPUQUXHDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RQKHBSFTWMNHGF-LPUQUXHDSA-N

(Q105243363)

(2S)-N-[(3R,4R,7R,10Z)-7-(1H-indol-2-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(methylamino)hexanamide

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